Geometry & MOs

Info

ID:	343902
PubChem CID:	127267078
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-92.21
Dipole, Da:	1.53
IP(EA), eV:	-8.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C)CNCC2=C(C=NN2C)C(=O)OC(C)(C)C

DOS

IR

Vibrations