Geometry & MOs

Info

ID:	291842
PubChem CID:	113585014
Reduced:	BrO2N3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	318.03275
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	6.69
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl carbamate

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NC(C)CCO)Br

DOS

IR

Vibrations