Geometry & MOs

Info

ID:	434046
PubChem CID:	135174199
Reduced:	O2N3C27H37 (1)
Stoich.:	A2B3C27D37 (1)
Weight, g/mol:	428.224597
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	6.16
IP(EA), eV:	-8.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butyl-1,3-thiazol-2-yl)-3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]benzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2)CNCC3CCNC3)OCC=C

DOS

IR

Vibrations