Geometry & MOs

Info

ID:	356546
PubChem CID:	127291768
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-142.66
Dipole, Da:	1.62
IP(EA), eV:	-9.03(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C(C)NC(=O)CC3CCCCC3)C

DOS

IR

Vibrations