Geometry & MOs

Info

ID:	420085
PubChem CID:	135111071
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	289.201494
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	4.23
IP(EA), eV:	-8.66(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCN(C)C(C)C(=O)NC2CCCC2

DOS

IR

Vibrations