Geometry & MOs

Info

ID:	245800
PubChem CID:	103023995
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	34.28
Dipole, Da:	3.52
IP(EA), eV:	-9.43(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminophenyl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SN=N1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations