Geometry & MOs

Info

ID:	417801
PubChem CID:	135102780
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-113.85
Dipole, Da:	5.19
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,18,21-trimethyl-2,11-dioxa-5,6,7,18,21-pentazatetracyclo[21.2.2.14,7.112,16]nonacosa-1(26),4(29),5,12,14,16(28),23(27),24-octaen-17-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC(=O)C4=C(N3)C=CC(=C4)C(=O)N)O

DOS

IR

Vibrations