Geometry & MOs

Info

ID:	357515
PubChem CID:	127294148
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	2.76
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)CN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations