Geometry & MOs

Info

ID:	323997
PubChem CID:	126676741
Reduced:	ClN3O3C35H52 (1)
Stoich.:	AB3C3D35E52 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	7.59
IP(EA), eV:	-8.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[2-(dimethylamino)acetyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1C(O1)NC2=C(C=C(C(=C2)OC)C(=O)NCCN(CC)CC)Cl

DOS

IR

Vibrations