Geometry & MOs

Info

ID:	293333
PubChem CID:	117384897
Reduced:	ClO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	252.128093
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	2.38
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-pentan-3-ylphenyl)butanal

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=C(C=C2)CC3(CC3)O)Cl

DOS

IR

Vibrations