Geometry & MOs

Info

ID:	20789
PubChem CID:	585681
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-5.9
Dipole, Da:	7.41
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylphenyl)-1-methyl-2-(2-oxochromen-6-yl)guanidine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N(C)C(=NC2=CC3=C(C=C2)OC(=O)C=C3)N

DOS

IR

Vibrations