Geometry & MOs

Info

ID:	272045
PubChem CID:	103720891
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	8.9
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-nitro-N-(2-prop-2-ynylsulfanylethyl)aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2CCN(CC2)CC(C)C

DOS

IR

Vibrations