Geometry & MOs

Info

ID:	365539
PubChem CID:	127317995
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	378.182254
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	2.32
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NC3CCCOC4=CC=CC=C34

DOS

IR

Vibrations