Geometry & MOs

Info

ID:	198153
PubChem CID:	79058593
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	302.196983
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	4.44
IP(EA), eV:	-9.04(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-3-N,3-N-dimethyl-1-[4-(trifluoromethyl)phenyl]pentane-2,3-diamine

Drug info:

PubChemData

Smile

CCC(C)(C(=O)CC1=NC=NN1CC(C)C)N2CCCC2

DOS

IR

Vibrations