Geometry & MOs

Info

ID:	201108
PubChem CID:	79489881
Reduced:	SN2C18H32 (1)
Stoich.:	AB2C18D32 (1)
Weight, g/mol:	302.18167
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	1.86
IP(EA), eV:	-8.61(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',2,2-trimethyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCCNCC1(CCCCC1)CN(C)CCC2=CC=CS2

DOS

IR

Vibrations