Geometry & MOs

Info

ID:	354344
PubChem CID:	127286470
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-35.2
Dipole, Da:	3.18
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations