Geometry & MOs

Info

ID:	195514
PubChem CID:	78695027
Reduced:	O2N3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	4.07
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.112497
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(1-phenylethylamino)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH2+]CC(=O)NCC(C2=CC=C(C=C2)OC)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations