Geometry & MOs

Info

ID:	132714
PubChem CID:	51406361
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	484.257337
ΔH_f, kcal/mol:	-147.07
Dipole, Da:	3.7
IP(EA), eV:	-9.19(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-methyl 3-O-(2-propan-2-yloxyethyl) (4S,6R,7S)-4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

COC1CCCC2C1NCC3C2NC4C(CCCN4C3=O)O

DOS

IR

Vibrations