Geometry & MOs

Info

ID:	395848
PubChem CID:	135026698
Reduced:	O2N3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	438.157102
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	1.81
IP(EA), eV:	-8.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-9,9-dimethyl-4,6,8,10-tetrahydro-[1,2,4,5]tetrazino[6,1-b][1,3]benzoxazin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=C3N(N2)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations