Geometry & MOs

Info

ID:	166584
PubChem CID:	74712443
Reduced:	BrNSO4C27H30 (1)
Stoich.:	ABCD4E27F30 (1)
Weight, g/mol:	509.196901
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	4.15
IP(EA), eV:	-8.65(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(S3)C)COC4=CC=CC=C4Br

DOS

IR

Vibrations