Geometry & MOs

Info

ID:	306368
PubChem CID:	125011438
Reduced:	FO2N4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-128.26
Dipole, Da:	3.3
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-(isoquinolin-7-ylmethyl)-1,4-oxazepan-4-yl]-(2-morpholin-4-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@@H]2CCCN(C2)C(=O)CC(C)C)C)CC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations