Geometry & MOs

Info

ID:	62942
PubChem CID:	26737731
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	7.18
IP(EA), eV:	-8.67(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-butan-2-yl]phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OCC

DOS

IR

Vibrations