Geometry & MOs

Info

ID:	415920
PubChem CID:	135088922
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	57.01
Dipole, Da:	1.45
IP(EA), eV:	-8.39(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCN(C)CC2=CC(=CC=C2)SC

DOS

IR

Vibrations