Geometry & MOs

Info

ID:	376115
PubChem CID:	134222118
Reduced:	F4O5N6H20C27 (1)
Stoich.:	A4B5C6D20E27 (1)
Weight, g/mol:	363.175378
ΔH_f, kcal/mol:	-252.49
Dipole, Da:	9.95
IP(EA), eV:	-9.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)but-1-enyl]naphthalen-1-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)CC2=CC3=C(C=C2F)OC(O3)(F)F)C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations