Geometry & MOs

Info

ID:	256090
PubChem CID:	103136946
Reduced:	ClN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	303.042899
ΔH_f, kcal/mol:	57.76
Dipole, Da:	4.49
IP(EA), eV:	-8.27(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyloxolan-2-yl)methyl 3-amino-4,5-dichlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=C3C=NC=CC3=C(C=C2)N)Cl

DOS

IR

Vibrations