Geometry & MOs

Info

ID:	379126
PubChem CID:	134353324
Reduced:	SO2F3N5C27H38 (1)
Stoich.:	AB2C3D5E27F38 (1)
Weight, g/mol:	369.24565
ΔH_f, kcal/mol:	-217.78
Dipole, Da:	5.4
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(C1CN(C1)C(=O)OC(C)(C)C)N2CC3(C2)CCN(C3)C4=C5C=C(SC5=NC=N4)CC(F)(F)F

DOS

IR

Vibrations