Geometry & MOs

Info

ID:	16744
PubChem CID:	476220
Reduced:	N5C27H33 (1)
Stoich.:	A5B27C33 (1)
Weight, g/mol:	427.273596
ΔH_f, kcal/mol:	56.62
Dipole, Da:	1.44
IP(EA), eV:	-8.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(cyclohexylmethyl)-3,6-bis(1,4,5,6-tetrahydropyrimidin-2-yl)carbazole

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=NCCCN4)C5=C2C=CC(=C5)C6=NCCCN6

DOS

IR

Vibrations