Geometry & MOs

Info

ID:	202791
PubChem CID:	79726559
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	14.24
Dipole, Da:	5.69
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CC1=NN(N=C1)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations