Geometry & MOs

Info

ID:	186915
PubChem CID:	77505266
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	434.185509
ΔH_f, kcal/mol:	-179.88
Dipole, Da:	0.79
IP(EA), eV:	-9.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]-9bH-benzo[de]quinoline

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations