Geometry & MOs

Info

ID:	72435
PubChem CID:	48416173
Reduced:	FNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-191.56
Dipole, Da:	1.53
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=CC=CC=C2F)C(=O)OC

DOS

IR

Vibrations