Geometry & MOs

Info

ID:	351562
PubChem CID:	127280454
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	5.4
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCN(CC3)C(=O)CN4CCCC4)C

DOS

IR

Vibrations