Geometry & MOs

Info

ID:	308996
PubChem CID:	126533745
Reduced:	IO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	373.116152
ΔH_f, kcal/mol:	13.72
Dipole, Da:	4.48
IP(EA), eV:	-8.79(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-nitrophenoxy)carbonyloxy-phenylmethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C(=N1)I)N=C(C=C2)C3=CN=CC(=C3)CN4CCCCC4

DOS

IR

Vibrations