Geometry & MOs

Info

ID:	372034
PubChem CID:	131288053
Reduced:	NSO2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	6.56
IP(EA), eV:	-9.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclohexylmethyl)furan-3-amine

Drug info:

PubChemData

Smile

CSC1=C(C(=O)C=CN1)C=O

DOS

IR

Vibrations