Geometry & MOs

Info

ID:	401996
PubChem CID:	135053750
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	1.67
IP(EA), eV:	-8.87(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetylphenyl)-butylcyanamide

Drug info:

PubChemData

Smile

C/C=C\C=C/CC1(CCC/C=C\C=C/C1)O

DOS

IR

Vibrations