Geometry & MOs

Info

ID:	446148
PubChem CID:	135272728
Reduced:	SN8C18H18 (1)
Stoich.:	AB8C18D18 (1)
Weight, g/mol:	399.217144
ΔH_f, kcal/mol:	149.37
Dipole, Da:	5.65
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]-6-(3-propan-2-ylphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)CN2C=C(N=N2)C3=CC(=NC(=N3)N)C4=NC(=CS4)C

DOS

IR

Vibrations