Geometry & MOs

Info

ID:	252584
PubChem CID:	103112471
Reduced:	N3O4C14H25 (1)
Stoich.:	A3B4C14D25 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-200.89
Dipole, Da:	9.52
IP(EA), eV:	-9.57(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)N1CCCCC1CC(=O)O

DOS

IR

Vibrations