Geometry & MOs

Info

ID:	271923
PubChem CID:	103700822
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-97.45
Dipole, Da:	2.2
IP(EA), eV:	-9.26(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(2-phenyltriazol-4-yl)methylamino]pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CNCC1=CC=CO1)C2=CC=CC=C2

DOS

IR

Vibrations