Geometry & MOs

Info

ID:	299744
PubChem CID:	117689128
Reduced:	BrO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	34.56
Dipole, Da:	1.93
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

COC1=CN=C(C=C1)[C@H]2C[C@@H]2COC3=C(C=C4C(=N3)C=CC=N4)Br

DOS

IR

Vibrations