Geometry & MOs

Info

ID:	49559
PubChem CID:	11533257
Reduced:	FO2N5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	489.262757
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	3.89
IP(EA), eV:	-8.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-methyl-3-[7-[3-[methyl(oxolan-2-ylmethyl)amino]propoxy]-1-oxoisoquinolin-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=NC=C(C=C2)C3=NC(=NC(=C3)C4=CC=C(C=C4)F)N5CCCC5C

DOS

IR

Vibrations