Geometry & MOs

Info

ID:	160800
PubChem CID:	57389809
Reduced:	ClOSN5H14C17 (1)
Stoich.:	ABCD5E14F17 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	55.76
Dipole, Da:	2.77
IP(EA), eV:	-8.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxyethyl]morpholine

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)NC3=CC(=CC=C3)Cl)C(=O)C4=CN=CS4

DOS

IR

Vibrations