Geometry & MOs

Info

ID:	205594
PubChem CID:	80124386
Reduced:	SN3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	347.01212
ΔH_f, kcal/mol:	56.61
Dipole, Da:	3.68
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,6-difluorophenyl)-naphthalen-1-ylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC2=NC=NC3=C2C=CC(=C3)N)C

DOS

IR

Vibrations