Geometry & MOs

Info

ID:	53393
PubChem CID:	14714891
Reduced:	CrNO4C27H27 (1)
Stoich.:	ABC4D27E27 (1)
Weight, g/mol:	345.209264
ΔH_f, kcal/mol:	102.43
Dipole, Da:	5.2
IP(EA), eV:	-6.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11a-methyl-1,2-diphenyl-6,7,8,9,10,11-hexahydro-5H-pyrrolo[1,2-a]azonin-3-one

Drug info:

PubChemData

Smile

CC12CCCCCCCN1C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations