Geometry & MOs

Info

ID:	445861
PubChem CID:	135269820
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	13.07
Dipole, Da:	5.92
IP(EA), eV:	-8.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyanomethyl)cyclohexyl]methyl cyanate

Drug info:

PubChemData

Smile

CC1=C(N(C(CN1C)C2=CC=C(C=C2)C=O)C)C(NC)OC(=N)C3=CC=CC=C3

DOS

IR

Vibrations