Geometry & MOs

Info

ID:	417260
PubChem CID:	135091863
Reduced:	N5O5C18H23 (1)
Stoich.:	A5B5C18D23 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	4.05
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CN1C=NN=C1CN(C)C(=O)[C@@H]2[C@H](NC(=O)CO2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations