Geometry & MOs

Info

ID:	192160
PubChem CID:	78234379
Reduced:	ClO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	412.258674
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	0.93
IP(EA), eV:	-8.96(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-hydroxyethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C2=NC(=O)C(C=C12)CN(CCN3CCOCC3)C(=O)NC4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations