Geometry & MOs

Info

ID:	364742
PubChem CID:	127316048
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	341.196408
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	1.55
IP(EA), eV:	-9.01(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CCC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations