Geometry & MOs

Info

ID:	217421
PubChem CID:	85087788
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-199.55
Dipole, Da:	5.57
IP(EA), eV:	-10.05(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methylanilino)quinoline-4-carbonyl]hydrazinylidene]propanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)OC)CCC4(C3(C=CC(=O)N4)C)OC

DOS

IR

Vibrations