Geometry & MOs

Info

ID:	155230
PubChem CID:	56322916
Reduced:	N4O5H22C24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-76.28
Dipole, Da:	6.91
IP(EA), eV:	-8.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-3-indol-1-ylpropanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3

DOS

IR

Vibrations