Geometry & MOs

Info

ID:	132836
PubChem CID:	51429789
Reduced:	NO2C6H7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-138.93
Dipole, Da:	10.16
IP(EA), eV:	-8.99(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-oxo-4-prop-2-enyl-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-pentylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations