Geometry & MOs

Info

ID:	68564
PubChem CID:	46508653
Reduced:	O2F3N4H23C26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	4.14
IP(EA), eV:	-9.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations