Geometry & MOs

Info

ID:	178909
PubChem CID:	76400403
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	4.17
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-(6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CN=C(C=C1)N2CCC3C(C2)C(NN3)C4=CC(=CC=C4)F

DOS

IR

Vibrations