Geometry & MOs

Info

ID:	316350
PubChem CID:	126630774
Reduced:	NH10C14 (6)
Stoich.:	AB10C14 (6)
Weight, g/mol:	617.257946
ΔH_f, kcal/mol:	341.94
Dipole, Da:	0.57
IP(EA), eV:	-8.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[2,6-bis(carbazol-9-ylmethyl)pyrimidin-4-yl]methyl]carbazole

Drug info:

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=CC2=C(C=C19)C(C1=CC=CC=C12)(C)C)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC3=C(C=C21)C(C1=CC=CC=C13)(C)C)C

DOS

IR

Vibrations