Geometry & MOs

Info

ID:	167068
PubChem CID:	74775720
Reduced:	SN2O6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	7.81
IP(EA), eV:	-8.79(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl)methyl 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations