Geometry & MOs

Info

ID:	357665
PubChem CID:	127294339
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	6.32
IP(EA), eV:	-8.59(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCN(CC2)CC3=NC(=C(O3)C)C)C(C)(C)C

DOS

IR

Vibrations