Geometry & MOs

Info

ID:	181335
PubChem CID:	76731160
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	656.324167
ΔH_f, kcal/mol:	11.59
Dipole, Da:	2.14
IP(EA), eV:	-8.96(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)-1-oxo-1-[4-oxo-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CNC1CCCC2=C1C=CC=C2C(=NO)N

DOS

IR

Vibrations