Geometry & MOs

Info

ID:	264426
PubChem CID:	103460689
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	4.09
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(2,2-dimethylbutylamino)methyl]phenol

Drug info:

PubChemData

Smile

CCC(C)(C)CNCC1=C(C=CC(=C1)Cl)O

DOS

IR

Vibrations