Geometry & MOs

Info

ID:	405030
PubChem CID:	135072242
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	-105.6
Dipole, Da:	1.69
IP(EA), eV:	-9.43(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-4-isocyano-1-phenylbutan-1-imine

Drug info:

PubChemData

Smile

CC1(OC[C@@H]2[C@@H](O1)C=CO2)C

DOS

IR

Vibrations