Geometry & MOs

Info

ID:	155026
PubChem CID:	56314596
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	421.13649
ΔH_f, kcal/mol:	-23.03
Dipole, Da:	11.08
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromobenzoyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(/C#N)\C(=O)NCC3CCN(C3)C(C)C

DOS

IR

Vibrations