Geometry & MOs

Info

ID:	446149
PubChem CID:	135272732
Reduced:	N7C23H25 (1)
Stoich.:	A7B23C25 (1)
Weight, g/mol:	437.141179
ΔH_f, kcal/mol:	124.24
Dipole, Da:	4.85
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations