Geometry & MOs

Info

ID:	360244
PubChem CID:	127300887
Reduced:	OSN6C18H24 (1)
Stoich.:	ABC6D18E24 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	53.0
Dipole, Da:	2.94
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations