Geometry & MOs

Info

ID:	197846
PubChem CID:	79006321
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	191.142248
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	3.46
IP(EA), eV:	-8.88(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CN2CCC3C2CCCC3)O

DOS

IR

Vibrations