Geometry & MOs

Info

ID:	367593
PubChem CID:	127325082
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	4.3
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN2CCOCC2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations