Geometry & MOs

Info

ID:	20220
PubChem CID:	582723
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-23.85
Dipole, Da:	3.4
IP(EA), eV:	-8.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)N

DOS

IR

Vibrations