Geometry & MOs

Info

ID:	27804
PubChem CID:	823682
Reduced:	N3O3C6H7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	36.72
Dipole, Da:	4.81
IP(EA), eV:	-9.84(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(=NO)C2=NO[N+](=C2C1)[O-]

DOS

IR

Vibrations