Geometry & MOs

Info

ID:	218327
PubChem CID:	85089179
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	448.26136
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	4.22
IP(EA), eV:	-9.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-(1-hexacyclo[6.6.5.13,6.02,7.09,14.015,19]icosa-9,11,13-trienyl) 1-O-methyl 2,2-dimethyl-4-methylidenepentanedioate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCNCC3

DOS

IR

Vibrations