Geometry & MOs

Info

ID:	140942
PubChem CID:	52787200
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	451.307302
ΔH_f, kcal/mol:	-174.2
Dipole, Da:	7.72
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N,N-diethyl-3-[[2-[ethyl-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-3-yl]amino]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(=O)OCC

DOS

IR

Vibrations