Geometry & MOs

Info

ID:	177045
PubChem CID:	76129509
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	896.528079
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	5.85
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;2-[2-(tritylamino)phenyl]pent-3-en-2-ol;2-[2-(tritylamino)phenyl]pent-3-yn-2-ol

Drug info:

PubChemData

Smile

CCN1C=CC=C1C(=NOCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations