Geometry & MOs

Info

ID:	360166
PubChem CID:	127300749
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-50.0
Dipole, Da:	6.51
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylquinolin-3-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)COC2=CC3=C(C=C2)NC(=O)CC3)C4=NN=CC=C4

DOS

IR

Vibrations