Geometry & MOs

Info

ID:	161555
PubChem CID:	57391973
Reduced:	PO4N5C8H12 (1)
Stoich.:	AB4C5D8E12 (1)
Weight, g/mol:	410.268176
ΔH_f, kcal/mol:	-172.73
Dipole, Da:	12.52
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexyl] benzoate

Drug info:

PubChemData

Smile

C1=NC2=C(N1CCCP(=O)(O)O)NC(=NC2=O)N

DOS

IR

Vibrations