Geometry & MOs

Info

ID:	58792
PubChem CID:	24714868
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-16.57
Dipole, Da:	3.47
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methoxypropyl-[(3-methylphenyl)methyl]amino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CCCN(CC1=CSC(=N1)COC2=CC=CC=C2)C(=O)C3CC3

DOS

IR

Vibrations