Geometry & MOs

Info

ID:	355342
PubChem CID:	127288319
Reduced:	N7C16H23 (1)
Stoich.:	A7B16C23 (1)
Weight, g/mol:	313.201494
ΔH_f, kcal/mol:	117.74
Dipole, Da:	10.8
IP(EA), eV:	-8.36(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations