Geometry & MOs

Info

ID:	332020
PubChem CID:	127250306
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	1.74
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-1-yl-[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCOC(C2)C3=NC=C(C=C3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations