Geometry & MOs

Info

ID:	290677
PubChem CID:	109817070
Reduced:	ION6C20H29 (1)
Stoich.:	ABC6D20E29 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	16.87
Dipole, Da:	5.28
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=CC=CC=C2N3C=CN=C3)NCC.I

DOS

IR

Vibrations