Geometry & MOs

Info

ID:	422569
PubChem CID:	135118053
Reduced:	N7O7C38H49 (1)
Stoich.:	A7B7C38D49 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-256.99
Dipole, Da:	5.81
IP(EA), eV:	-8.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,5-dimethoxyphenyl)ethylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C)C(=O)N[C@H]2CCCNC(=O)COC3=C(C=CC(=C3)CCCNC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC4=CC=CC=C4)C(C)C)OC

DOS

IR

Vibrations