Geometry & MOs

Info

ID:	360236
PubChem CID:	127300879
Reduced:	OSN7C18H23 (1)
Stoich.:	ABC7D18E23 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	85.16
Dipole, Da:	5.8
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CN(N=C4)C

DOS

IR

Vibrations