Geometry & MOs

Info

ID:	225604
PubChem CID:	85856305
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	1124.51335
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	4.57
IP(EA), eV:	-8.8(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(C)(C)C1=C(C2=CC=CC=C2C(=C1)N=O)O

DOS

IR

Vibrations