Geometry & MOs

Info

ID:	149839
PubChem CID:	53789517
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	543.282186
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	5.91
IP(EA), eV:	-8.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanoethyl N-(6-hydroxyhexyl)carbamate;2-isocyanoethyl N-[6-[2-isocyanoethoxy(methyl)phosphanyl]oxyhexyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C(=C2NOC(C(O2)(C)C)(C)C)N=O)O)C)C

DOS

IR

Vibrations