Geometry & MOs

Info

ID:	137962
PubChem CID:	52292122
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-11.89
Dipole, Da:	2.2
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-methyl-N-[3-[4-(3-nitrophenyl)piperazin-1-yl]-3-oxopropyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CO2)CN3CCC[C@H]3CCC4=CC=CC=C4

DOS

IR

Vibrations