Geometry & MOs

Info

ID:	223722
PubChem CID:	85335478
Reduced:	OCl2N4C29H32 (1)
Stoich.:	AB2C4D29E32 (1)
Weight, g/mol:	515.176461
ΔH_f, kcal/mol:	17.05
Dipole, Da:	1.93
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethoxymethyl)-2-methyl-4-[N-[(2-methyltetrazol-5-yl)methyl]-4-nitroanilino]-6-nitro-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)C(CCN)C3=CC(=C(C=C3)Cl)Cl)C(NN2)C4=CC=CC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations