Geometry & MOs

Info

ID:	37240
PubChem CID:	8018676
Reduced:	SN2O5C14H18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	305.001034
ΔH_f, kcal/mol:	-205.23
Dipole, Da:	3.24
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)methyl 4-cyanobenzoate

Drug info:

PubChemData

Smile

COCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N

DOS

IR

Vibrations