Geometry & MOs

Info

ID:	412744
PubChem CID:	135085658
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	4.32
IP(EA), eV:	-9.38(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3,4-dimethyl-1-phenylpent-2-en-1-one

Drug info:

PubChemData

Smile

CC[N+]1(CC2=C(C1)SC(=C2)C(=O)OC)[O-]

DOS

IR

Vibrations