Geometry & MOs

Info

ID:	390438
PubChem CID:	134999156
Reduced:	NO6C29H37 (1)
Stoich.:	AB6C29D37 (1)
Weight, g/mol:	354.055929
ΔH_f, kcal/mol:	-259.34
Dipole, Da:	4.81
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-1H-isochromen-5-yl)methanol;carbon monoxide;chromium

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C(=O)C(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations