Geometry & MOs

Info

ID:	275559
PubChem CID:	103816593
Reduced:	NOC4H8 (2)
Stoich.:	ABC4D8 (2)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	2.41
IP(EA), eV:	-9.3(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CC[C@@H](C1)N)OC

DOS

IR

Vibrations