Geometry & MOs

Info

ID:	448321
PubChem CID:	135290103
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	2.82
IP(EA), eV:	-8.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[4-methoxy-3-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2CC2C(=O)NC3=CC=C(C=C3)F)C4=CCNCC4

DOS

IR

Vibrations