Geometry & MOs

Info

ID:	305587
PubChem CID:	124960961
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-38.95
Dipole, Da:	4.38
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-pyridin-3-yl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@@]3(CCCN(CC3)C(=O)C4=CC(=CC=C4)NC5=NC=CC=N5)OCC2=O

DOS

IR

Vibrations