Geometry & MOs

Info

ID:	7469
PubChem CID:	72807
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	1.23
IP(EA), eV:	-8.9(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione

Drug info:

PubChemData

Smile

CC(C)CN1CC(=O)N2CCCN2C(=O)C1

DOS

IR

Vibrations