Geometry & MOs

Info

ID:	291182
PubChem CID:	111715969
Reduced:	O2N4C23H40 (1)
Stoich.:	A2B4C23D40 (1)
Weight, g/mol:	378.146759
ΔH_f, kcal/mol:	-91.96
Dipole, Da:	4.7
IP(EA), eV:	-9.07(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyano-2-fluorophenyl)methyl]-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine

Drug info:

PubChemData

Smile

CCC(CC)(CCO)CNC(=NCC1=CC=C(C=C1)C(=O)N(CC)CC)NCC

DOS

IR

Vibrations