Geometry & MOs

Info

ID:	236229
PubChem CID:	92711974
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	7.56
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations