Geometry & MOs

Info

ID:	356547
PubChem CID:	127291769
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-106.67
Dipole, Da:	8.07
IP(EA), eV:	-8.8(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations