Geometry & MOs

Info

ID:	389245
PubChem CID:	134991805
Reduced:	MoNCl2O2C35H48 (1)
Stoich.:	ABC2D2E35F48 (1)
Weight, g/mol:	653.87351
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	15.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.983013
Charge, e:	-2

Chem-info

IUPAC name:

carbon monoxide;methanone;rhenium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C2=C(C(=CC(=C2O)C(C)(C)C)C)C)O)C(C)(C)C.CC(C)(C)[CH2-].C1=CC(=C(C(=C1)Cl)N=[Mo])Cl

DOS

IR

Vibrations