Geometry & MOs

Info

ID:	236227
PubChem CID:	92711972
Reduced:	ClON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	3.11
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(5-chloro-2-methoxyphenyl)-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=C(C=C3)C)Cl

DOS

IR

Vibrations