Geometry & MOs

Info

ID:	411048
PubChem CID:	135083857
Reduced:	ClOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	32.33
Dipole, Da:	3.53
IP(EA), eV:	-9.39(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-4-methoxybut-2-enoxy]prop-1-ynylbenzene

Drug info:

PubChemData

Smile

C/C=C\COCC#CC1=CC=CC=C1Cl

DOS

IR

Vibrations