Geometry & MOs

Info

ID:	317566
PubChem CID:	126643482
Reduced:	FNO7C14H16 (1)
Stoich.:	ABC7D14E16 (1)
Weight, g/mol:	505.236542
ΔH_f, kcal/mol:	-255.25
Dipole, Da:	6.37
IP(EA), eV:	-9.23(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[[(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-[[4-(1-methylindazol-5-yl)phenyl]methyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)F)C(=O)O

DOS

IR

Vibrations