Geometry & MOs

Info

ID:	325996
PubChem CID:	126685939
Reduced:	FO2N3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	399.075262
ΔH_f, kcal/mol:	-152.85
Dipole, Da:	2.38
IP(EA), eV:	-8.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-chloro-3-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-4-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)OC(C)(C)C)CC2=C(C(=CC(=C2)F)N)C

DOS

IR

Vibrations