Geometry & MOs

Info

ID:	126724
PubChem CID:	50974924
Reduced:	SN3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	73.55
Dipole, Da:	3.35
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C=N2)CCCCCN)C3=CSC=C3

DOS

IR

Vibrations