Geometry & MOs

Info

ID:	33805
PubChem CID:	7888206
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-142.53
Dipole, Da:	5.29
IP(EA), eV:	-9.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C

DOS

IR

Vibrations