Geometry & MOs

Info

ID:	77428
PubChem CID:	48430519
Reduced:	BrON3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	369.09396
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	6.52
IP(EA), eV:	-9.2(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N2CCCC2CC3=CC=C(C=C3)Br)C

DOS

IR

Vibrations