Geometry & MOs

Info

ID:	316555
PubChem CID:	126631226
Reduced:	N5H51C71 (1)
Stoich.:	A5B51C71 (1)
Weight, g/mol:	398.178299
ΔH_f, kcal/mol:	293.75
Dipole, Da:	4.08
IP(EA), eV:	-8.22(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N,5-diphenylbenzo[b]carbazol-3-amine

Drug info:

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C5=CC=CC=C5N(C4=C3)C6=CC7=C(C=C6)C(=NN=C7N8C9=CC=CC=C9C1=CC2=C(C=C18)C1=CC=CC=C1C2(C)C)N1C2=CC=CC=C2C2=CC3=C(C=C21)C1=CC=CC=C1C3(C)C)C

DOS

IR

Vibrations