Geometry & MOs

Info

ID:	157210
PubChem CID:	56422401
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	5.46
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)-3-(phenylcarbamoylamino)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N(C2=CC3=C(C=C2)NC=C3)C(C)CC(C)C)C

DOS

IR

Vibrations