Geometry & MOs

Info

ID:	322315
PubChem CID:	126669714
Reduced:	OSC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	385.215413
ΔH_f, kcal/mol:	15.16
Dipole, Da:	1.79
IP(EA), eV:	-8.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-methoxyphenyl)-N-[1-[4-(1-methylpyrazol-4-yl)naphthalen-2-yl]ethyl]ethanamine

Drug info:

PubChemData

Smile

C1C2CC(C1C=C2)COSC3=CC=CC=C3

DOS

IR

Vibrations