Geometry & MOs

Info

ID:	404985
PubChem CID:	135071995
Reduced:	IN2O4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	317.152607
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	2.87
IP(EA), eV:	-7.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1S,2R,3R)-2-deuterio-3-phenylcyclopropyl]-4-methylpent-3-en-1-yn-3-yl] benzoate

Drug info:

PubChemData

Smile

CCCCN(C(C(C)C)C(=O)NCC(=O)OC)C(=O)C1=CC=CC=C1I

DOS

IR

Vibrations