Geometry & MOs

Info

ID:	236212
PubChem CID:	92711924
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	4.08
IP(EA), eV:	-8.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CN2CCN1C(=O)NC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations