Geometry & MOs

Info

ID:	178546
PubChem CID:	76347250
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	2.98
IP(EA), eV:	-8.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-nitro-N-[5-(5-phenylpyrazolidin-3-yl)pentyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C=CC2=CC(=C(C=C2)OC3=CN=CC=C3)F)C

DOS

IR

Vibrations