Geometry & MOs

Info

ID:	376065
PubChem CID:	134222067
Reduced:	NSO4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	349.159727
ΔH_f, kcal/mol:	-105.01
Dipole, Da:	4.91
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C[C@@H]3C(=O)NC(=O)S3

DOS

IR

Vibrations