Geometry & MOs

Info

ID:	324287
PubChem CID:	126677324
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	298.200491
ΔH_f, kcal/mol:	-1.57
Dipole, Da:	3.09
IP(EA), eV:	-8.49(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[5-(hydroxymethyl)-1,2-dihydrotriazol-3-yl]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

C1CC(CC(C1)N2C(=CNN2)CO)NC(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations