Geometry & MOs

Info

ID:	355327
PubChem CID:	127288304
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	24.58
Dipole, Da:	6.72
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations