Geometry & MOs

Info

ID:	362581
PubChem CID:	127308313
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	42.19
Dipole, Da:	4.4
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=CC=C(C=C3)C4=CSN=N4

DOS

IR

Vibrations