Geometry & MOs

Info

ID:	363339
PubChem CID:	127310868
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	385.16848
ΔH_f, kcal/mol:	64.69
Dipole, Da:	3.1
IP(EA), eV:	-9.09(-0.74)
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-5-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations