Geometry & MOs

Info

ID:	438764
PubChem CID:	135228518
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-5.57
Dipole, Da:	4.06
IP(EA), eV:	-8.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dicyclopropylphenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC(=C(C=C1)N=C)NC

DOS

IR

Vibrations