Geometry & MOs

Info

ID:	16837
PubChem CID:	477239
Reduced:	N7C20H29 (1)
Stoich.:	A7B20C29 (1)
Weight, g/mol:	367.248444
ΔH_f, kcal/mol:	49.97
Dipole, Da:	4.36
IP(EA), eV:	-8.25(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(diethylamino)ethyl]-2-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=C(N2)C=C(C(=C3)C)C

DOS

IR

Vibrations