Geometry & MOs

Info

ID:	58813
PubChem CID:	24714895
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	3.02
IP(EA), eV:	-8.6(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(CCN2CCOCC2)CC(C)(C)O

DOS

IR

Vibrations