Geometry & MOs

Info

ID:	234292
PubChem CID:	92298113
Reduced:	ON3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	18.75
Dipole, Da:	4.7
IP(EA), eV:	-8.74(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CCN3C=CC=C3[C@H]2C4=CC=CC=C4C

DOS

IR

Vibrations