Geometry & MOs

Info

ID:	343487
PubChem CID:	127266660
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	3.48
IP(EA), eV:	-9.6(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC(C)(CC1=CN(N=N1)C2=CC=CC(=C2)C(=O)C)O

DOS

IR

Vibrations