Geometry & MOs

Info

ID:	355886
PubChem CID:	127290738
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	355.212058
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	4.85
IP(EA), eV:	-8.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C)O)C

DOS

IR

Vibrations