Geometry & MOs

Info

ID:	399339
PubChem CID:	135039740
Reduced:	ClNC14H14 (1)
Stoich.:	ABC14D14 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	20.71
Dipole, Da:	2.62
IP(EA), eV:	-8.16(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-5-ethyl-4-hydroxyhept-2-ynyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(C=CC(=C2)C)Cl

DOS

IR

Vibrations