Geometry & MOs

Info

ID:	198391
PubChem CID:	79094574
Reduced:	NC6H9 (3)
Stoich.:	AB6C9 (3)
Weight, g/mol:	302.196983
ΔH_f, kcal/mol:	26.79
Dipole, Da:	6.53
IP(EA), eV:	-8.8(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N-diethyl-3-N-methyl-4-[3-(trifluoromethyl)phenyl]butane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCC(CC1=CC=NC2=CC=CC=C12)NC

DOS

IR

Vibrations