Geometry & MOs

Info

ID:	440767
PubChem CID:	135231356
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	-5.44
Dipole, Da:	3.78
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-cyclohexa-1,3-dien-1-ylethanol

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations