Geometry & MOs

Info

ID:	51657
PubChem CID:	12014364
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	361.204179
ΔH_f, kcal/mol:	6.41
Dipole, Da:	4.22
IP(EA), eV:	-9.13(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R,6R,9S,10S,11S,14R,15S)-11-(4-methylphenyl)-12-oxa-3-azahexacyclo[13.2.1.16,9.02,14.03,11.05,10]nonadec-7-en-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]23[C@@H]4[C@H]5C[C@@H]([C@@H]4C(=O)N2CCCCN3)C=C5

DOS

IR

Vibrations