Geometry & MOs

Info

ID:	368929
PubChem CID:	127330937
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	2.68
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations