Geometry & MOs

Info

ID:	27864
PubChem CID:	823938
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	4.21
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-butan-2-yl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations