Geometry & MOs

Info

ID:	395847
PubChem CID:	135026689
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	464.217203
ΔH_f, kcal/mol:	-208.16
Dipole, Da:	5.43
IP(EA), eV:	-8.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxyphenyl)-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(=C(C(=O)C1)CC(C(=O)OC)C(=O)OC)NCC2=CC=CC=C2)C

DOS

IR

Vibrations