Geometry & MOs

Info

ID:	84364
PubChem CID:	49866035
Reduced:	FO2N4C30H31 (1)
Stoich.:	AB2C4D30E31 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	4.72
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-chlorophenyl)-[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCC(=O)C3=NC4=CC=CC=C4N3C5=CC=C(C=C5)F

DOS

IR

Vibrations