Geometry & MOs

Info

ID:	369591
PubChem CID:	127334837
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	1.01
IP(EA), eV:	-8.97(-0.31)
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]-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)CC5=NOC(=N5)C6CC6

DOS

IR

Vibrations