Geometry & MOs

Info

ID:	76018
PubChem CID:	48424307
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	351.08339
ΔH_f, kcal/mol:	-109.89
Dipole, Da:	3.65
IP(EA), eV:	-9.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCCOCCC1=CC=CC=C1)OCC2CC2

DOS

IR

Vibrations