Geometry & MOs

Info

ID:	281017
PubChem CID:	103852421
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	235.100857
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	4.46
IP(EA), eV:	-9.61(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-hydroxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CCN(CC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O

DOS

IR

Vibrations