Geometry & MOs

Info

ID:	245820
PubChem CID:	103024093
Reduced:	FON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	2.5
IP(EA), eV:	-9.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-6-methyl-1-(1-methylpyrazol-4-yl)heptan-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations