Geometry & MOs

Info

ID:	290653
PubChem CID:	109816963
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	-89.24
Dipole, Da:	2.79
IP(EA), eV:	-8.69(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-ethyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCC2=CC3=C(C=C2)OCO3)NCC

DOS

IR

Vibrations