Geometry & MOs

Info

ID:	272349
PubChem CID:	103740085
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	298.200491
ΔH_f, kcal/mol:	4.59
Dipole, Da:	6.82
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=CC=CC(=C2)C#N

DOS

IR

Vibrations