Geometry & MOs

Info

ID:	310556
PubChem CID:	126582103
Reduced:	NO2C4H4 (2)
Stoich.:	AB2C4D4 (2)
Weight, g/mol:	638.411526
ΔH_f, kcal/mol:	-72.02
Dipole, Da:	5.92
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(7-azaspiro[3.5]nonan-7-ylmethyl)-4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-6-methylpyridin-3-yl]-2-[(2-chloro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2=COCO2

DOS

IR

Vibrations