Geometry & MOs

Info

ID:	59604
PubChem CID:	24880704
Reduced:	N2O2C15H19 (2)
Stoich.:	A2B2C15D19 (2)
Weight, g/mol:	556.192899
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	3.55
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(5-fluoro-2-methylanilino)methyl]-2,2-dimethyl-1H-quinolin-6-yl]-3-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)CN(C)C)C(C)(C)C)C3=NOC(=C3)C(=O)NCC4CCCO4

DOS

IR

Vibrations