Geometry & MOs

Info

ID:	304514
PubChem CID:	124756122
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	2.18
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

CN1CCC[C@@H](C1)C(=O)NC[C@H]2CC3=C(C=CC(=C3O2)C4=CC=NC=C4)F

DOS

IR

Vibrations