Geometry & MOs

Info

ID:	290656
PubChem CID:	109816972
Reduced:	IO3N6C18H29 (1)
Stoich.:	AB3C6D18E29 (1)
Weight, g/mol:	376.222289
ΔH_f, kcal/mol:	-30.5
Dipole, Da:	8.58
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-nitroanilino)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCNC2=CC=C(C=C2)[N+](=O)[O-])NCC.I

DOS

IR

Vibrations