Geometry & MOs

Info

ID:	143312
PubChem CID:	53185555
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-54.57
Dipole, Da:	2.71
IP(EA), eV:	-8.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylpyridin-4-yl)propanamide

Drug info:

PubChemData

Smile

COC1=NC=CN=C1NC2CCN(CC2)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations