Geometry & MOs

Info

ID:	39232
PubChem CID:	8139956
Reduced:	N3O3C22H26 (1)
Stoich.:	A3B3C22D26 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939732
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations