Geometry & MOs

Info

ID:	290662
PubChem CID:	109817015
Reduced:	OF3N4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	403.294725
ΔH_f, kcal/mol:	-181.94
Dipole, Da:	8.03
IP(EA), eV:	-9.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=CC=C(C=C2)C(F)(F)F)NCC

DOS

IR

Vibrations