Geometry & MOs

Info

ID:	146457
PubChem CID:	53692215
Reduced:	NO3C15H17 (2)
Stoich.:	AB3C15D17 (2)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-192.44
Dipole, Da:	3.08
IP(EA), eV:	-8.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-1-ynyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)N(CC1=CC=CC=C1)C2CC(N(C3=CC(=C(C=C23)OC)OC)C(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations