Geometry & MOs

Info

ID:	440112
PubChem CID:	135230012
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	399.270819
ΔH_f, kcal/mol:	-166.89
Dipole, Da:	7.79
IP(EA), eV:	-8.96(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-methyl-4-[(Z)-1-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-1-enyl]iminopent-2-en-3-amine

Drug info:

PubChemData

Smile

CCCOC(=O)[C@H](CC1=CC=C(C=C1)C2=C(N(C(N(C2=O)C)O)C)C)N

DOS

IR

Vibrations