Geometry & MOs

Info

ID:	313143
PubChem CID:	126612207
Reduced:	NOC48H53 (1)
Stoich.:	ABC48D53 (1)
Weight, g/mol:	991.308644
ΔH_f, kcal/mol:	16.83
Dipole, Da:	3.06
IP(EA), eV:	-7.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)OC5=C(N4C6=CC=CC=C6)C=C(C=C5)C7=CC8=C(C=C7)C(C(C8(C)C)(C)C)(C)C)C(C1(C)C)(C)C)C

DOS

IR

Vibrations