Geometry & MOs

Info

ID:	363523
PubChem CID:	127311602
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-55.74
Dipole, Da:	3.56
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1,3-benzoxazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NC4CCOC5=CC=CC=C45

DOS

IR

Vibrations