Geometry & MOs

Info

ID:	170870
PubChem CID:	75289490
Reduced:	BrN4O4C22H31 (1)
Stoich.:	AB4C4D22E31 (1)
Weight, g/mol:	520.16852
ΔH_f, kcal/mol:	-175.99
Dipole, Da:	2.45
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)NC(C)C(=O)N3CCOCC3)C

DOS

IR

Vibrations