Geometry & MOs

Info

ID:	156915
PubChem CID:	56394864
Reduced:	N4O4C23H34 (1)
Stoich.:	A4B4C23D34 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	3.63
IP(EA), eV:	-8.57(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-4-nitrobenzoyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2C(=O)NCCCN(C)C3CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations