Geometry & MOs

Info

ID:	201770
PubChem CID:	79579361
Reduced:	N4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	23.38
Dipole, Da:	5.15
IP(EA), eV:	-8.4(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(CN)N(C)C2CCCC2

DOS

IR

Vibrations