Geometry & MOs

Info

ID:	331669
PubChem CID:	127249752
Reduced:	FO2N5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	2.45
IP(EA), eV:	-8.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[6-[(1,5-dimethylpyrazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC(=O)N3CCOC(C3)C4=NC(=CC=C4)NC5=NC=C(C=C5)F

DOS

IR

Vibrations