Geometry & MOs

Info

ID:	139200
PubChem CID:	52490776
Reduced:	FO2N4C21H34 (1)
Stoich.:	AB2C4D21E34 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-119.77
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755512
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[NH+](CC(=O)NC(C)(C)C)CC(=O)N1CCN(CC1)CC2=CC=CC=C2F

DOS

IR

Vibrations