Geometry & MOs

Info

ID:	264425
PubChem CID:	103460545
Reduced:	NC17H27 (1)
Stoich.:	AB17C27 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	4.85
Dipole, Da:	1.32
IP(EA), eV:	-8.78(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(C1CC1)C2=CC=C(C=C2)C

DOS

IR

Vibrations