Geometry & MOs

Info

ID:	46645
PubChem CID:	10525897
Reduced:	BSeF4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	414.07545
ΔH_f, kcal/mol:	-286.35
Dipole, Da:	16.22
IP(EA), eV:	-10.13(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-bromobutyl)-4-(3,4-difluorophenyl)-2,6-dimethyl-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C1CCC(=C[Se+](C2=CC=CC=C2)C3=CC=CC=C3)CC1

DOS

IR

Vibrations