Geometry & MOs

Info

ID:	204383
PubChem CID:	79957324
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	31.87
Dipole, Da:	3.81
IP(EA), eV:	-8.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethoxyphenyl)methyl]-2-methylthian-3-amine

Drug info:

PubChemData

Smile

CC1C(CCCS1)NCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations