Geometry & MOs

Info

ID:	371553
PubChem CID:	127347117
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	4.14
IP(EA), eV:	-8.35(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC2C3=CC=CC=C3C1N2CC(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations