Geometry & MOs

Info

ID:	76054
PubChem CID:	48424364
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	351.08339
ΔH_f, kcal/mol:	-172.14
Dipole, Da:	1.16
IP(EA), eV:	-9.28(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CNC(=O)COC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations