Geometry & MOs

Info

ID:	248722
PubChem CID:	103083951
Reduced:	BrN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	278.00548
ΔH_f, kcal/mol:	39.84
Dipole, Da:	5.53
IP(EA), eV:	-9.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-methylphenyl)pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(C=N2)CNC(C)(C)C

DOS

IR

Vibrations