Geometry & MOs

Info

ID:	298978
PubChem CID:	117664948
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-98.45
Dipole, Da:	5.15
IP(EA), eV:	-8.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-(morpholin-4-ylmethyl)phenol

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2)C3=CC=C(C=C3)CN(CCCCCCC(=O)NO)S(=O)O

DOS

IR

Vibrations