Geometry & MOs

Info

ID:	192098
PubChem CID:	78228155
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	412.272593
ΔH_f, kcal/mol:	79.43
Dipole, Da:	7.22
IP(EA), eV:	-8.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(6-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(=CC4CNNC4C5=CC=CC=C5)S3

DOS

IR

Vibrations