Geometry & MOs

Info

ID:	377174
PubChem CID:	134223212
Reduced:	O5C21H34 (1)
Stoich.:	A5B21C34 (1)
Weight, g/mol:	203.08071
ΔH_f, kcal/mol:	-283.11
Dipole, Da:	5.73
IP(EA), eV:	-10.29(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4H-tetrazolo[5,1-c][1,4]benzoxazin-8-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(C(C)C)C(=O)OCOC12CC3CC(C1)C(=O)OC(C3)C2

DOS

IR

Vibrations