Geometry & MOs

Info

ID:	434045
PubChem CID:	135174198
Reduced:	ON2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	435.288577
ΔH_f, kcal/mol:	27.02
Dipole, Da:	4.15
IP(EA), eV:	-8.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[[3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)CNCC3CNC3)OCC=C

DOS

IR

Vibrations