Geometry & MOs

Info

ID:	402288
PubChem CID:	135055360
Reduced:	N3O6H31C33 (1)
Stoich.:	A3B6C31D33 (1)
Weight, g/mol:	549.085277
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	6.68
IP(EA), eV:	-9.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

carbanide;carbon monoxide;chromium;diethyl (7S)-5-methoxy-7-phenylcyclohepta-1,3,5-triene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H](/C(=N/C(=O)OCC1=CC=CC=C1)/C2=CC=CC=C2)N(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations