Geometry & MOs

Info

ID:	193723
PubChem CID:	78430128
Reduced:	ON3C25H26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	439.235873
ΔH_f, kcal/mol:	48.84
Dipole, Da:	7.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858521
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CCC4=CC=CC=C4

DOS

IR

Vibrations