Geometry & MOs

Info

ID:	355332
PubChem CID:	127288309
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	64.26
Dipole, Da:	1.52
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyridazin-3-yl-N-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=NN=CC=C2)CC3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations