Geometry & MOs

Info

ID:	27125
PubChem CID:	814750
Reduced:	ION2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	34.67
Dipole, Da:	5.27
IP(EA), eV:	-9.69(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)C(=O)NC2=CC=NC=C2

DOS

IR

Vibrations