Geometry & MOs

Info

ID:	355736
PubChem CID:	127289828
Reduced:	N7C20H25 (1)
Stoich.:	A7B20C25 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	118.78
Dipole, Da:	4.53
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CC3=NN=C(N3C)C4=CC=CC=C4

DOS

IR

Vibrations