Geometry & MOs

Info

ID:	36431
PubChem CID:	8006678
Reduced:	ClNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-102.78
Dipole, Da:	5.11
IP(EA), eV:	-9.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC1(CC(=O)N(C(=O)C1)CC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations