Geometry & MOs

Info

ID:	399490
PubChem CID:	135040537
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	1.52
IP(EA), eV:	-8.54(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-2-propan-2-yldec-3-ynoate

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)OCC(=C)C)C

DOS

IR

Vibrations