Geometry & MOs

Info

ID:	436442
PubChem CID:	135202949
Reduced:	N3O3C29H33 (1)
Stoich.:	A3B3C29D33 (1)
Weight, g/mol:	538.294391
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	2.31
IP(EA), eV:	-8.87(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[8-[2-(diethylamino)ethoxy]-5,6-dimethyl-11-oxo-6H-benzo[b]carbazol-3-yl]-1-methylurea

Drug info:

PubChemData

Smile

CCC1=C(C=C2C(=C1)CC3=C(C2(C)C)NC4=C3C(=O)CC(=C4)C#N)OC5CCN(CC5)C6COC6

DOS

IR

Vibrations