Geometry & MOs

Info

ID:	354378
PubChem CID:	127286622
Reduced:	O2N5C18H35 (1)
Stoich.:	A2B5C18D35 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	3.82
IP(EA), eV:	-8.41(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)CCN(C)C(=O)NCC(=O)N2CCCCC2

DOS

IR

Vibrations