Geometry & MOs

Info

ID:	76010
PubChem CID:	48424294
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	307.133907
ΔH_f, kcal/mol:	-177.62
Dipole, Da:	3.33
IP(EA), eV:	-9.38(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations