Geometry & MOs

Info

ID:	369587
PubChem CID:	127334833
Reduced:	O2N7C18H21 (1)
Stoich.:	A2B7C18D21 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	85.17
Dipole, Da:	5.5
IP(EA), eV:	-8.81(-1.29)
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]-(2-cyclopropyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C3N=CC=CN3N=C2)CC4=NOC(=N4)C5CC5

DOS

IR

Vibrations