Geometry & MOs

Info

ID:	356557
PubChem CID:	127291783
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-130.15
Dipole, Da:	3.71
IP(EA), eV:	-8.75(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C(C)C)C(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations