Geometry & MOs

Info

ID:	400114
PubChem CID:	135045596
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	476.11884
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	3.07
IP(EA), eV:	-8.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC\2=C(C=C1)NC(=O)/C2=C\C(=CN)Cl

DOS

IR

Vibrations