Geometry & MOs

Info

ID:	448373
PubChem CID:	135290467
Reduced:	ClNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	4.84
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chlorophenyl)-3-[4-methoxy-3-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC(=CC=C2)Cl)OCC3COC3

DOS

IR

Vibrations