Geometry & MOs

Info

ID:	335950
PubChem CID:	127254957
Reduced:	ClFO2N4C18H18 (1)
Stoich.:	ABC2D4E18F18 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	3.31
IP(EA), eV:	-8.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-oxopiperazine-1-carbonyl)phenyl]-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1CCC(=O)NCC2=NC(=NO2)C3=C(C=CC=C3Cl)F)C

DOS

IR

Vibrations