Geometry & MOs

Info

ID:	234291
PubChem CID:	92298112
Reduced:	N3O4H15C20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	9.09
IP(EA), eV:	-9.52(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(2,6-dimethylphenyl)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(/C#N)\C(=O)OC

DOS

IR

Vibrations