Geometry & MOs

Info

ID:	360284
PubChem CID:	127300927
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	384.26376
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	6.74
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations