Geometry & MOs

Info

ID:	443093
PubChem CID:	135257665
Reduced:	N2O4C39H42 (1)
Stoich.:	A2B4C39D42 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-91.96
Dipole, Da:	2.68
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]-2-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)[C@H]6CCCN6

DOS

IR

Vibrations