Geometry & MOs

Info

ID:	236214
PubChem CID:	92711930
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	-35.35
Dipole, Da:	5.05
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-bromophenyl)-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=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations