Geometry & MOs

Info

ID:	165233
PubChem CID:	74519786
Reduced:	N3O4C27H33 (1)
Stoich.:	A3B4C27D33 (1)
Weight, g/mol:	449.103
ΔH_f, kcal/mol:	-101.15
Dipole, Da:	6.66
IP(EA), eV:	-8.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[2-methoxy-4-[(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C)OCC(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations