Geometry & MOs

Info

ID:	243535
PubChem CID:	99226469
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-63.13
Dipole, Da:	3.04
IP(EA), eV:	-8.35(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-cyclopropyl-N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN1C=C(C2=CC=CC=C21)C(=O)N3CCC[C@H]3C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations