Geometry & MOs

Info

ID:	369501
PubChem CID:	127334243
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	3.45
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1,4-diazepan-1-yl)-[3-[(6-methylpyridazin-3-yl)amino]phenyl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations