Geometry & MOs

Info

ID:	15478
PubChem CID:	442470
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	6.64
IP(EA), eV:	-8.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7S,9R,13R,14R)-14-hydroxy-11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-11-en-3-one

Drug info:

PubChemData

Smile

CC1=C[C@@H]2[C@@H](CC[C@H]3N2[C@H](C1)C[C@H]4N3C(=O)CCC4)O

DOS

IR

Vibrations