Geometry & MOs

Info

ID:	362591
PubChem CID:	127308362
Reduced:	ClON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	53.57
Dipole, Da:	5.09
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC3=CC(=C(C=C3)N4C=CC=N4)Cl

DOS

IR

Vibrations