Geometry & MOs

Info

ID:	205282
PubChem CID:	80080321
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	3.82
IP(EA), eV:	-8.21(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)N2CCS(=O)CC2

DOS

IR

Vibrations