Geometry & MOs

Info

ID:	355328
PubChem CID:	127288305
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	21.08
Dipole, Da:	5.28
IP(EA), eV:	-8.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)C3=NN=CC=C3)C

DOS

IR

Vibrations