Geometry & MOs

Info

ID:	193837
PubChem CID:	78444905
Reduced:	O2N5C23H33 (1)
Stoich.:	A2B5C23D33 (1)
Weight, g/mol:	441.251523
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	4.01
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC[NH+]1CC[NH+](CC1)C(CNC(=O)C(=O)NCC2=CC=C(C=C2)C)C3=CN=CC=C3

DOS

IR

Vibrations