Geometry & MOs

Info

ID:	280868
PubChem CID:	103851681
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	310.236876
ΔH_f, kcal/mol:	-7.42
Dipole, Da:	5.71
IP(EA), eV:	-9.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CNCC1=CC=CC=C1C#N

DOS

IR

Vibrations