Geometry & MOs

Info

ID:	43223
PubChem CID:	10319865
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	418.250795
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	4.8
IP(EA), eV:	-8.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-phenylmethoxyhexyl)-6-propan-2-ylazulene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=CC(=N2)C)C(=O)N3CCN(CC3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations