Geometry & MOs

Info

ID:	424711
PubChem CID:	135123682
Reduced:	SO5N8C38H48 (1)
Stoich.:	AB5C8D38E48 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	7.03
IP(EA), eV:	-8.43(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydrazinyl-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC6=CN=C(N=C6)OCCN)C

DOS

IR

Vibrations