Geometry & MOs

Info

ID:	365217
PubChem CID:	127317065
Reduced:	ClO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	366.186732
ΔH_f, kcal/mol:	-87.89
Dipole, Da:	6.69
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-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)NCC(=O)NC3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations