Geometry & MOs

Info

ID:	393791
PubChem CID:	135021689
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	8.85
Dipole, Da:	1.26
IP(EA), eV:	-9.35(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3S)-3-(2,5-dimethylpyrrol-1-yl)cyclohexyl]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1C2=CC=CC=C2)N=NN

DOS

IR

Vibrations