Geometry & MOs

Info

ID:	372671
PubChem CID:	131301863
Reduced:	IN2O3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	4.47
IP(EA), eV:	-9.74(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-6-methylpyrimidin-5-yl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC([C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])I)N)O

DOS

IR

Vibrations