Geometry & MOs

Info

ID:	148319
PubChem CID:	53787981
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	396.360345
ΔH_f, kcal/mol:	-97.86
Dipole, Da:	2.32
IP(EA), eV:	-8.55(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl docos-13-enoate

Drug info:

PubChemData

Smile

CC1C2(CC(CN1)CN(C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations