Geometry & MOs

Info

ID:	360990
PubChem CID:	127301850
Reduced:	O4N5C14H17 (1)
Stoich.:	A4B5C14D17 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	2.9
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-morpholin-4-ylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CN=C(C=C2)NC(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations