Geometry & MOs

Info

ID:	188742
PubChem CID:	77760637
Reduced:	ClO2N6C29H39 (1)
Stoich.:	AB2C6D29E39 (1)
Weight, g/mol:	502.305624
ΔH_f, kcal/mol:	-0.98
Dipole, Da:	6.84
IP(EA), eV:	-8.28(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethoxy-6-[4-(2-hexyltetrazol-5-yl)phenyl]-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine

Drug info:

PubChemData

Smile

CCCCCCN1N=C(N=N1)C2=CC=C(C=C2)C3=NC4CCN(CC4C5=CC(=C(C=C53)OC)OCC)C.Cl

DOS

IR

Vibrations