Geometry & MOs

Info

ID:	255592
PubChem CID:	103133223
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	2.97
IP(EA), eV:	-8.88(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1OCC2CCC(O2)C)N

DOS

IR

Vibrations