Geometry & MOs

Info

ID:	303076
PubChem CID:	124489181
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	223.076392
ΔH_f, kcal/mol:	-6.07
Dipole, Da:	3.41
IP(EA), eV:	-8.67(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(chloromethyl)pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC=C2NCC3=CC=CC=C3

DOS

IR

Vibrations