Geometry & MOs

Info

ID:	370753
PubChem CID:	127340118
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	361.193632
ΔH_f, kcal/mol:	45.82
Dipole, Da:	3.63
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)N3CCC(CC3)CN4C=CC=N4

DOS

IR

Vibrations