Geometry & MOs

Info

ID:	369589
PubChem CID:	127334835
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	3.66
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=NOC(=N2)C3CC3)NC(=O)C4CCCC4

DOS

IR

Vibrations