Geometry & MOs

Info

ID:	279737
PubChem CID:	103844907
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	309.06872
ΔH_f, kcal/mol:	57.07
Dipole, Da:	4.38
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNCCC2=CSC(=N2)C

DOS

IR

Vibrations