Geometry & MOs

Info

ID:	273118
PubChem CID:	103770527
Reduced:	F2N2O4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	293.074261
ΔH_f, kcal/mol:	-183.2
Dipole, Da:	5.65
IP(EA), eV:	-10.5(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC(C(F)F)O

DOS

IR

Vibrations