Geometry & MOs

Info

ID:	365216
PubChem CID:	127317064
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	378.182254
ΔH_f, kcal/mol:	22.89
Dipole, Da:	3.92
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations