Geometry & MOs

Info

ID:	352371
PubChem CID:	127283458
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	5.05
IP(EA), eV:	-8.38(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations