Geometry & MOs

Info

ID:	434373
PubChem CID:	135174806
Reduced:	NO4C25H37 (1)
Stoich.:	AB4C25D37 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-102.29
Dipole, Da:	5.56
IP(EA), eV:	-8.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[3-(2-methylpropoxy)-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)OC1CC(C1)OC2=CN=C(C=C2)C#CC3(CC3)OCCOC(C)(C)C

DOS

IR

Vibrations