Geometry & MOs

Info

ID:	31901
PubChem CID:	3723183
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	3.93
IP(EA), eV:	-9.44(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-hydroxyethyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1(CC(CCO1)C(CC(=O)N)C2=CC=CC=C2)C

DOS

IR

Vibrations