Geometry & MOs

Info

ID:	168310
PubChem CID:	74950913
Reduced:	N2O2H12C13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	530.321668
ΔH_f, kcal/mol:	-72.73
Dipole, Da:	7.27
IP(EA), eV:	-8.57(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one;3-hydroxy-4-(trimethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C3=CC=CC=C3C(=C(C)NNC(=O)NC4=CC=C(C=C4)C(=O)O)C2=O)C

DOS

IR

Vibrations