Geometry & MOs

Info

ID:	361524
PubChem CID:	127303714
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	3.95
IP(EA), eV:	-8.93(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations