Geometry & MOs

Info

ID:	304157
PubChem CID:	124497701
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	37.66
Dipole, Da:	5.57
IP(EA), eV:	-8.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[2-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]piperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(C=CC=N2)[C@H]3CCCCN3C)C

DOS

IR

Vibrations