Geometry & MOs

Info

ID:	403153
PubChem CID:	135058993
Reduced:	O2N5H11C12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	369.145358
ΔH_f, kcal/mol:	42.22
Dipole, Da:	6.25
IP(EA), eV:	-10.68(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-diethoxyphosphoryl-1-(4-methoxyphenyl)triazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C(=O)C3=CN=NC=C3C2=O)N=N1

DOS

IR

Vibrations