Geometry & MOs

Info

ID:	360235
PubChem CID:	127300878
Reduced:	ON7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	385.16848
ΔH_f, kcal/mol:	38.74
Dipole, Da:	6.55
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations