Geometry & MOs

Info

ID:	357853
PubChem CID:	127294696
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	384.202222
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	8.23
IP(EA), eV:	-8.88(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCNC(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C

DOS

IR

Vibrations