Geometry & MOs

Info

ID:	266917
PubChem CID:	103580058
Reduced:	BrClN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	331.0087
ΔH_f, kcal/mol:	12.58
Dipole, Da:	4.36
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-3-chloropyridin-2-yl)amino]-N-cyclopropylbutanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations