Geometry & MOs

Info

ID:	424293
PubChem CID:	135122080
Reduced:	N5O8C16H19 (1)
Stoich.:	A5B8C16D19 (1)
Weight, g/mol:	437.065583
ΔH_f, kcal/mol:	-280.59
Dipole, Da:	13.82
IP(EA), eV:	-9.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[dimethoxyphosphoryl-[1-(4-nitrophenyl)triazol-4-yl]methyl]aniline

Drug info:

PubChemData

Smile

CC(=O)[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)NC(=O)C)CO)OC(=O)C)O

DOS

IR

Vibrations