Geometry & MOs

Info

ID:	156334
PubChem CID:	56370138
Reduced:	BrO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	431.06113
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	1.09
IP(EA), eV:	-9.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(5-bromo-2-chloropyridine-3-carbonyl)amino]propyl]-N-cyclopropylcarbamate

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CN=C(C=C2)OC3CCCC3)Br

DOS

IR

Vibrations