Geometry & MOs

Info

ID:	171796
PubChem CID:	75428176
Reduced:	O2N5C16H29 (1)
Stoich.:	A2B5C16D29 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	5.51
IP(EA), eV:	-9.26(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-methylphenyl)butan-2-ylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1C=NC=N1)NC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations