Geometry & MOs

Info

ID:	176919
PubChem CID:	76114128
Reduced:	N7O12C67H127 (1)
Stoich.:	A7B12C67D127 (1)
Weight, g/mol:	256.203845
ΔH_f, kcal/mol:	-764.06
Dipole, Da:	4.72
IP(EA), eV:	-9.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexoxyethyl hept-5-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)C(C)NC(=O)C(CCCCN)N(C(=O)C(CCCCN)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations