Geometry & MOs

Info

ID:	335521
PubChem CID:	127254383
Reduced:	O3N5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	8.26
IP(EA), eV:	-10.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[4-(1-methylindole-2-carbonyl)piperazine-1-carbonyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(=O)OC)N1C=NN=N1

DOS

IR

Vibrations