Geometry & MOs

Info

ID:	148141
PubChem CID:	53787803
Reduced:	OC86H158 (1)
Stoich.:	AB86C158 (1)
Weight, g/mol:	379.155036
ΔH_f, kcal/mol:	-353.39
Dipole, Da:	1.75
IP(EA), eV:	-8.56(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-chloro-3-[[4-methyl-2-(2-methylpropanoyl)-3-oxopentylidene]amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCCCCCCCCCC)OC2=CC=C(C=C2)C)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)C

DOS

IR

Vibrations