Geometry & MOs

Info

ID:	448332
PubChem CID:	135290184
Reduced:	BrN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	243.0133
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	0.73
IP(EA), eV:	-8.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(NE)-N-[[1-(3-bromopropyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC1(CC[C@H](N1N)C2=CC(=C(C=C2Br)OC)OCC3=CC=CC=C3)C

DOS

IR

Vibrations