Geometry & MOs

Info

ID:	448372
PubChem CID:	135290466
Reduced:	ClN2O6C22H25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	373.108086
ΔH_f, kcal/mol:	-188.8
Dipole, Da:	4.53
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chlorophenyl)-3-[3-methoxy-4-(oxetan-3-ylmethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=CC(=C1OC)OC)C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

DOS

IR

Vibrations