Geometry & MOs

Info

ID:	334702
PubChem CID:	127253377
Reduced:	N3O5H31C32 (1)
Stoich.:	A3B5C31D32 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	4.35
IP(EA), eV:	-8.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC(=C(C=C5)OCCC6=CC=C(C=C6)OC)OC

DOS

IR

Vibrations