Geometry & MOs

Info

ID:	334498
PubChem CID:	127253173
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-118.38
Dipole, Da:	1.84
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=CC=C3)O

DOS

IR

Vibrations