Geometry & MOs

Info

ID:	284267
PubChem CID:	104039074
Reduced:	O2S2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	6.35
IP(EA), eV:	-9.11(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)SC2=CC(=NC=C2)NN

DOS

IR

Vibrations