Geometry & MOs

Info

ID:	62171
PubChem CID:	26717855
Reduced:	ClN4O4H17C22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	6.0
IP(EA), eV:	-9.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations