Geometry & MOs

Info

ID:	337656
PubChem CID:	127258279
Reduced:	N4O5C34H36 (1)
Stoich.:	A4B5C34D36 (1)
Weight, g/mol:	486.200216
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	7.63
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate

Drug info:

PubChemData

Smile

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations