Geometry & MOs

Info

ID:	290681
PubChem CID:	109817078
Reduced:	IO2N4C19H31 (1)
Stoich.:	AB2C4D19E31 (1)
Weight, g/mol:	336.171689
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	5.49
IP(EA), eV:	-8.61(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCOC2=CC=CC=C2C)NCC.I

DOS

IR

Vibrations