Geometry & MOs

Info

ID:	21111
PubChem CID:	587228
Reduced:	ClNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	343.097521
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	2.09
IP(EA), eV:	-8.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC(=C2)C=NOC(=O)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations