Geometry & MOs

Info

ID:	312387
PubChem CID:	126604556
Reduced:	O3C17H34 (1)
Stoich.:	A3B17C34 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	-203.97
Dipole, Da:	2.61
IP(EA), eV:	-9.65(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[4-(1,2-dihydropyridin-5-yl)-1,4-dihydropyrimidin-2-yl]-4-methylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCC(C)(CC)C(=O)OCC(C)COC(C)(CC)CC

DOS

IR

Vibrations