Geometry & MOs

Info

ID:	271742
PubChem CID:	103690344
Reduced:	BrNO5C15H20 (1)
Stoich.:	ABC5D15E20 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	-220.56
Dipole, Da:	7.44
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-cyclopropylpropan-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=C(C=CC(=C1)OC)Br)C(=O)O

DOS

IR

Vibrations