Geometry & MOs

Info

ID:	198412
PubChem CID:	79097819
Reduced:	NC8H15 (2)
Stoich.:	AB8C15 (2)
Weight, g/mol:	259.076392
ΔH_f, kcal/mol:	-26.93
Dipole, Da:	4.3
IP(EA), eV:	-8.5(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CCCCCN1C=CC(=C1)C(C(C)C)NCCC

DOS

IR

Vibrations