Geometry & MOs

Info

ID:	234835
PubChem CID:	92303577
Reduced:	ClNO3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	400.110919
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	1.75
IP(EA), eV:	-9.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopropyl-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=C([C@H](CC2=O)C3=CC=CC=C3Cl)C(=O)OC(C)C)C

DOS

IR

Vibrations