Geometry & MOs

Info

ID:	172798
PubChem CID:	75553989
Reduced:	ClO2N5C23H32 (1)
Stoich.:	AB2C5D23E32 (1)
Weight, g/mol:	455.213281
ΔH_f, kcal/mol:	-65.55
Dipole, Da:	6.48
IP(EA), eV:	-9.07(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-(3,4-difluorophenyl)-7-methyl-4-oxo-1,2,3,3a,5a,6,7,8,9,9a-decahydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)N(C(=O)C3N2NC(N3)C(=O)NC4CCCC4)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations