Geometry & MOs

Info

ID:	417530
PubChem CID:	135099189
Reduced:	O3N7C30H39 (1)
Stoich.:	A3B7C30D39 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	2.85
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=NN2CC(=O)N1)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations