Geometry & MOs

Info

ID:	260124
PubChem CID:	103181997
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	273.164126
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	6.45
IP(EA), eV:	-9.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

CCC(C(=O)O)S(=O)CC1=NC=C(C(=C1C)[N+](=O)[O-])C

DOS

IR

Vibrations