Geometry & MOs

Info

ID:	198470
PubChem CID:	79105089
Reduced:	ON2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	290.154976
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	3.87
IP(EA), eV:	-8.67(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCCCOCCN1C=CC(=C1)C(CC)NCCC

DOS

IR

Vibrations