Geometry & MOs

Info

ID:	157992
PubChem CID:	56459381
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	9.58
Dipole, Da:	4.82
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3N5CCCC5

DOS

IR

Vibrations