Geometry & MOs

Info

ID:	7470
PubChem CID:	72809
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	1.44
IP(EA), eV:	-8.41(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CC(=O)N3CCCN3C(=O)C2

DOS

IR

Vibrations