Geometry & MOs

Info

ID:	351524
PubChem CID:	127280412
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-25.08
Dipole, Da:	5.3
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CN=CC=C4

DOS

IR

Vibrations