Geometry & MOs

Info

ID:	59647
PubChem CID:	24891459
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	555.182792
ΔH_f, kcal/mol:	6.0
Dipole, Da:	4.87
IP(EA), eV:	-8.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methoxy-4-[2,2,4-trimethyl-5-[(5-methylthiophene-2-carbonyl)oxymethyl]-1H-quinolin-6-yl]phenyl] pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1CN(C)C(=O)/C=C/C3=CC4=C(NCCOC4)N=C3

DOS

IR

Vibrations