Geometry & MOs

Info

ID:	381287
PubChem CID:	134971972
Reduced:	N4O7C25H40 (1)
Stoich.:	A4B7C25D40 (1)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-343.7
Dipole, Da:	3.83
IP(EA), eV:	-9.89(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-pent-4-ynyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCC(C)[C@H]1C(=O)N2CCCCC2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)CCCCCC(=O)C

DOS

IR

Vibrations