Geometry & MOs

Info

ID:	223673
PubChem CID:	85335402
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	484.207033
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	6.44
IP(EA), eV:	-8.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl-[(1-methyltetrazol-5-yl)methyl]amino]-2-(dimethoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC3=C(C2=CCCC4CCC5(CN4)C6=CC=CC=C6OC(=O)N5)C=CC=N3

DOS

IR

Vibrations