Geometry & MOs

Info

ID:	407029
PubChem CID:	135079162
Reduced:	O3C27H32 (1)
Stoich.:	A3B27C32 (1)
Weight, g/mol:	293.177964
ΔH_f, kcal/mol:	-92.02
Dipole, Da:	2.37
IP(EA), eV:	-9.31(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-cyclopropyl-3-[(2-piperidin-1-ylphenyl)methylidene]pent-4-yn-2-one

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)OC1CC2CCC1(C2(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations