Geometry & MOs

Info

ID:	350292
PubChem CID:	127277370
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	8.13
IP(EA), eV:	-8.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-imidazol-1-ylpiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)NC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations