Geometry & MOs

Info

ID:	444608
PubChem CID:	135263015
Reduced:	ClON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	472.236208
ΔH_f, kcal/mol:	-44.22
Dipole, Da:	1.38
IP(EA), eV:	-8.88(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-[2-(2-methoxyacetyl)-1,3-dihydroisoindol-5-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)N)N3CCCC3.Cl

DOS

IR

Vibrations