Geometry & MOs

Info

ID:	368073
PubChem CID:	127327174
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-43.39
Dipole, Da:	5.19
IP(EA), eV:	-9.08(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylazepan-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCCC(CC2)C(C)(C)C)C

DOS

IR

Vibrations