Geometry & MOs

Info

ID:	208659
PubChem CID:	80560940
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-2.14
Dipole, Da:	4.54
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]cyclobutyl]carbamate

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=C(C=C1)NC2CC(C2)N

DOS

IR

Vibrations