Geometry & MOs

Info

ID:	362567
PubChem CID:	127308279
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	394.156039
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	5.31
IP(EA), eV:	-9.26(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations