Geometry & MOs

Info

ID:	173326
PubChem CID:	75623224
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	397.172559
ΔH_f, kcal/mol:	-119.84
Dipole, Da:	4.65
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)C(=O)CN2CCCC3=CC=CC=C32)N

DOS

IR

Vibrations