Geometry & MOs

Info

ID:	309846
PubChem CID:	126562179
Reduced:	N2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	341.04874
ΔH_f, kcal/mol:	80.06
Dipole, Da:	2.31
IP(EA), eV:	-8.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[1-(5-bromopyrimidin-2-yl)azetidin-3-ylidene]amino]oxyazetidin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)N(C)C2=NC=CN=C2C3=CC=C(C=C3)N

DOS

IR

Vibrations