Geometry & MOs

Info

ID:	356544
PubChem CID:	127291766
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-41.64
Dipole, Da:	2.05
IP(EA), eV:	-8.87(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-isoquinolin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C)C

DOS

IR

Vibrations