Geometry & MOs

Info

ID:	54130
PubChem CID:	14720336
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	5.58
IP(EA), eV:	-9.14(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-(pyridin-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC2=CN=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations