Geometry & MOs

Info

ID:	362584
PubChem CID:	127308326
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	8.5
Dipole, Da:	5.51
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyanophenoxy)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)NC3=CN=C(N=C3)C(C)(C)C

DOS

IR

Vibrations