Geometry & MOs

Info

ID:	78905
PubChem CID:	49742679
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	8.16
IP(EA), eV:	-8.8(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)N3)COC

DOS

IR

Vibrations