Geometry & MOs

Info

ID:	439319
PubChem CID:	135229089
Reduced:	NC29H37 (1)
Stoich.:	AB29C37 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	14.29
Dipole, Da:	0.76
IP(EA), eV:	-7.7(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-but-3-enyl-5-[(3,4-dimethoxypyridin-2-yl)methoxy]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)CCCCC

DOS

IR

Vibrations