Geometry & MOs

Info

ID:	397226
PubChem CID:	135029911
Reduced:	N4O4C15H20 (1)
Stoich.:	A4B4C15D20 (1)
Weight, g/mol:	383.160932
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	7.92
IP(EA), eV:	-9.31(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dibenzyl-3-[4-(trifluoromethyl)phenyl]guanidine

Drug info:

PubChemData

Smile

C1COCCN1C(=NC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

DOS

IR

Vibrations