Geometry & MOs

Info

ID:	168738
PubChem CID:	75012211
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	500.282112
ΔH_f, kcal/mol:	63.95
Dipole, Da:	2.85
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1C2=CN=C(C=C2)C=CC3=CC=CC=C3

DOS

IR

Vibrations