Geometry & MOs

Info

ID:	354256
PubChem CID:	127286220
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-77.45
Dipole, Da:	4.78
IP(EA), eV:	-9.11(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)NC2=CN=C(N=C2)C(C)(C)C)C

DOS

IR

Vibrations