Geometry & MOs

Info

ID:	335988
PubChem CID:	127254995
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	7.43
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-acetylindol-1-yl)ethyl]-3-[1-(4-methoxyphenyl)-2-methylpropyl]urea

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CC=NC3=NC(=NN23)CCC4CCCC4)OC)OC

DOS

IR

Vibrations