Geometry & MOs

Info

ID:	70945
PubChem CID:	48414081
Reduced:	F2O2N4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-142.38
Dipole, Da:	4.9
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(C(C)C)NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations