Geometry & MOs

Info

ID:	399364
PubChem CID:	135039846
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	10.0
Dipole, Da:	4.25
IP(EA), eV:	-10.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxyphenyl)ethynyl]aniline

Drug info:

PubChemData

Smile

C=CC1(CC1)CC[N+](=O)[O-]

DOS

IR

Vibrations