Geometry & MOs

Info

ID:	6334
PubChem CID:	68127
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-23.81
Dipole, Da:	3.2
IP(EA), eV:	-8.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC2=C(C=NC=C2)N)OC

DOS

IR

Vibrations