Geometry & MOs

Info

ID:	397022
PubChem CID:	135029613
Reduced:	N2H17C26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	133.4
Dipole, Da:	2.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.651127
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-10-[(4-methoxyphenyl)methoxy]dec-4-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2C4=CC5=CC6=CC=CC=[N+]6C=C5C=C4

DOS

IR

Vibrations