Geometry & MOs

Info

ID:	355350
PubChem CID:	127288327
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	327.217144
ΔH_f, kcal/mol:	16.35
Dipole, Da:	6.7
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-(6-methylpyridazin-3-yl)-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CC(=O)N(C)CC3CC3

DOS

IR

Vibrations