Geometry & MOs

Info

ID:	354218
PubChem CID:	127286182
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	3.66
IP(EA), eV:	-8.24(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)NCC(C2CCCCC2)O)N3CCCCC3=O

DOS

IR

Vibrations