Geometry & MOs

Info

ID:	154874
PubChem CID:	56314417
Reduced:	BrOF2N2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	349.15904
ΔH_f, kcal/mol:	-83.24
Dipole, Da:	4.48
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)Br)F)CC3=CC=CC=C3F

DOS

IR

Vibrations