Geometry & MOs

Info

ID:	159125
PubChem CID:	57260466
Reduced:	S3N9O10C18H25 (1)
Stoich.:	A3B9C10D18E25 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-328.36
Dipole, Da:	10.31
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nonan-2-ylphenol

Drug info:

PubChemData

Smile

CC(C)(C)ON=C(C1=CSC(=N1)N)C(=O)N[C@H]2CN(C2=O)C(=O)NS(=O)(=O)NC(=O)N3CCN(C3=O)S(=O)(=O)C

DOS

IR

Vibrations