Geometry & MOs

Info

ID:	245773
PubChem CID:	103023900
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	3.99
IP(EA), eV:	-9.03(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(tert-butylamino)-4-(1-methylpyrazol-4-yl)butan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations