Geometry & MOs

Info

ID:	362576
PubChem CID:	127308308
Reduced:	OSN5C18H31 (1)
Stoich.:	ABC5D18E31 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	2.22
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)N2CCN(CC2)CC3=CN=C(S3)C

DOS

IR

Vibrations