Geometry & MOs

Info

ID:	28689
PubChem CID:	828981
Reduced:	O4N5H11C15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	51.38
Dipole, Da:	8.85
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfanylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)NN=CC3=CC=CO3

DOS

IR

Vibrations