Geometry & MOs

Info

ID:	145683
PubChem CID:	53570936
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	58.97
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NN=C2N1CCN(C2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

DOS

IR

Vibrations