Geometry & MOs

Info

ID:	290695
PubChem CID:	109817128
Reduced:	FION6C21H30 (1)
Stoich.:	ABCD6E21F30 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-24.06
Dipole, Da:	4.98
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCC2=NN(C=C2)C3=CC=C(C=C3)F)NCC.I

DOS

IR

Vibrations