Geometry & MOs

Info

ID:	44299
PubChem CID:	10502583
Reduced:	O2S2N6H11C13 (1)
Stoich.:	A2B2C6D11E13 (1)
Weight, g/mol:	427.163102
ΔH_f, kcal/mol:	121.0
Dipole, Da:	4.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901468
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN2C([N+]3=C(N=C2S1)SC(=N3)C)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations