Geometry & MOs

Info

ID:	290668
PubChem CID:	109817030
Reduced:	IO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	400.208611
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	2.6
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(1-propanoylpyrrolidin-3-yl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC2=CC=CC=C2COC3=CC=CC=C3.I

DOS

IR

Vibrations