Geometry & MOs

Info

ID:	438326
PubChem CID:	135228059
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	3.21
IP(EA), eV:	-9.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethyltriazol-4-yl)-2-propan-2-ylphenyl]propan-2-imine

Drug info:

PubChemData

Smile

CCC1=C(N2C=CC=CC2=N1)C(C3=CC(=C(C(=C3)C)O)C#N)O

DOS

IR

Vibrations