Geometry & MOs

Info

ID:	153398
PubChem CID:	56312586
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	421.18017
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	1.57
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC(CC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations