Geometry & MOs

Info

ID:	228751
PubChem CID:	87565671
Reduced:	O5C7H16 (1)
Stoich.:	A5B7C16 (1)
Weight, g/mol:	155.131014
ΔH_f, kcal/mol:	-237.76
Dipole, Da:	3.63
IP(EA), eV:	-10.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyanato-2-methylheptane

Drug info:

PubChemData

Smile

COCC(=O)O.C(CCO)CO

DOS

IR

Vibrations