Geometry & MOs

Info

ID:	290725
PubChem CID:	109844247
Reduced:	ClIOSN6C21H30 (1)
Stoich.:	ABCDE6F21G30 (1)
Weight, g/mol:	400.283826
ΔH_f, kcal/mol:	14.84
Dipole, Da:	4.78
IP(EA), eV:	-8.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-morpholin-4-ylbutyl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylguanidine

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)CNC(=NC)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl.I

DOS

IR

Vibrations