Geometry & MOs

Info

ID:	446141
PubChem CID:	135272702
Reduced:	N4H10C11 (2)
Stoich.:	A4B10C11 (2)
Weight, g/mol:	415.212058
ΔH_f, kcal/mol:	164.56
Dipole, Da:	6.52
IP(EA), eV:	-9.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-amino-6-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]pyrimidin-4-yl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations