Geometry & MOs

Info

ID:	354253
PubChem CID:	127286217
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	12.46
Dipole, Da:	4.98
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)NC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations