Geometry & MOs

Info

ID:	74075
PubChem CID:	48421425
Reduced:	BrN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	4.05
IP(EA), eV:	-8.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-pyridin-4-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)NC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations