Geometry & MOs

Info

ID:	235582
PubChem CID:	92710090
Reduced:	FON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	4.77
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)N4C=CC=C4

DOS

IR

Vibrations