Geometry & MOs

Info

ID:	365004
PubChem CID:	127316654
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	8.23
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)F)C#N

DOS

IR

Vibrations