Geometry & MOs

Info

ID:	204206
PubChem CID:	79931782
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	225.220498
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	1.16
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN(N=N3)CC(=O)O

DOS

IR

Vibrations