Geometry & MOs

Info

ID:	201561
PubChem CID:	79556833
Reduced:	ClN4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	18.45
Dipole, Da:	2.66
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-3-yl]butan-1-amine

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2=NC=C(C=N2)Cl

DOS

IR

Vibrations