Geometry & MOs

Info

ID:	73603
PubChem CID:	48418852
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	380.129156
ΔH_f, kcal/mol:	11.59
Dipole, Da:	6.35
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCCC1=NN=C(S1)NC(=O)CN(C)CC2=CC=CC=C2

DOS

IR

Vibrations