Geometry & MOs

Info

ID:	258786
PubChem CID:	103156998
Reduced:	N2O4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	275.224915
ΔH_f, kcal/mol:	-192.91
Dipole, Da:	3.25
IP(EA), eV:	-9.76(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylanilino)-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CN)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations