Geometry & MOs

Info

ID:	236248
PubChem CID:	92712040
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	7.36
IP(EA), eV:	-8.31(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C2=CC=CN2CCN1C(=O)NC3=CC(=C(C=C3OC)OC)Cl

DOS

IR

Vibrations