Geometry & MOs

Info

ID:	201562
PubChem CID:	79556834
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	19.5
Dipole, Da:	6.32
IP(EA), eV:	-8.88(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=CN(C=C1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])N

DOS

IR

Vibrations