Geometry & MOs

Info

ID:	346682
PubChem CID:	127271186
Reduced:	ON7C17H23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	57.95
Dipole, Da:	8.29
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(1-cyclopropylpiperidin-4-yl)amino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C4=C(C=CC=N4)C(=O)N

DOS

IR

Vibrations