Geometry & MOs

Info

ID:	415774
PubChem CID:	135088775
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	451.221954
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	2.69
IP(EA), eV:	-8.33(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methoxy-18,21-dimethyl-2,10-dioxa-5,6,7,18,21-pentazatetracyclo[21.3.1.15,8.011,16]octacosa-1(26),6,8(28),11(16),12,14,23(27),24-octaen-22-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2CC[C@]3(CCCN([C@@H]3C2)C)CO)N4CCCC4)C

DOS

IR

Vibrations