Geometry & MOs

Info

ID:	285870
PubChem CID:	104134098
Reduced:	BrClON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	4.26
IP(EA), eV:	-9.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1-hydroxybutan-2-yl)-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)Br)Cl

DOS

IR

Vibrations