Geometry & MOs

Info

ID:	252617
PubChem CID:	103112677
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-181.85
Dipole, Da:	4.39
IP(EA), eV:	-9.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[(1-ethylpyrazol-4-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)NCC1(CCC1)C(=O)O

DOS

IR

Vibrations