Geometry & MOs

Info

ID:	195166
PubChem CID:	78648247
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	382.080101
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	5.38
IP(EA), eV:	-8.6(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3O2)C

DOS

IR

Vibrations