Geometry & MOs

Info

ID:	31745
PubChem CID:	3288096
Reduced:	FON2C24H27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	418.262028
ΔH_f, kcal/mol:	-37.21
Dipole, Da:	5.13
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrrol-2-yl)methyl]-4-butoxy-N-butylbenzamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations