Geometry & MOs

Info

ID:	216336
PubChem CID:	85086067
Reduced:	N2O5C11H18 (1)
Stoich.:	A2B5C11D18 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-242.93
Dipole, Da:	5.31
IP(EA), eV:	-10.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-1,2,4a,5,5a,6,7,8,9,9a-decahydro-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)C)(CO)O

DOS

IR

Vibrations