Geometry & MOs

Info

ID:	20394
PubChem CID:	583699
Reduced:	N2O4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	308.079707
ΔH_f, kcal/mol:	-11.21
Dipole, Da:	7.22
IP(EA), eV:	-9.48(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(OC2=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations