Geometry & MOs

Info

ID:	365121
PubChem CID:	127316875
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	-10.33
Dipole, Da:	4.63
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-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=CC=C3C4=NC(=NO4)C(C)C

DOS

IR

Vibrations